N-acetyl-N-hydroxy-2-phenylacetamide

• ChemBase ID: 798028
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: CC(=O)N(C(=O)Cc1ccccc1)O
• Canonical SMILES: ON(C(=O)C)C(=O)Cc1ccccc1
• InChI: InChI=1S/C10H11NO3/c1-8(12)11(14)10(13)7-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3
• InChIKey: VGEUWUQVCVPCJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-acetyl-N-hydroxy-2-phenylacetamide
• IUPAC Traditional name: N-acetyl-N-hydroxy-2-phenylacetamide
• Synonyms: N-Hydroxy-N-phenylacetyl-acetamide

Database IDs

• CAS Number: 77130-75-7

CALCULATED PROPERTIES

• Acid pKa: 7.189957
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7807366
• LogD (pH = 7.4): 0.37380135
• Log P: 0.78947806
• Molar Refractivity: 50.5183 cm^3
• Polarizability: 19.616789 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%